# generated using pymatgen
data_LiBF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73333170
_cell_length_b   4.73333257
_cell_length_c   10.83966193
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000053
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBF4
_chemical_formula_sum   'Li3 B3 F12'
_cell_volume   210.31988033
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  -0.00000000  0.45103296  0.66666700  1
  Li  Li1  1  0.45103296  0.00000000  0.33333300  1
  Li  Li2  1  0.54896704  0.54896704  -0.00000000  1
  B  B3  1  0.55613501  0.55613501  0.50000000  1
  B  B4  1  -0.00000000  0.44386499  0.16666700  1
  B  B5  1  0.44386499  0.00000000  0.83333300  1
  F  F6  1  0.57548036  0.91917567  0.93442562  1
  F  F7  1  0.08082433  0.65630569  0.26775862  1
  F  F8  1  0.34369431  0.42451964  0.60109162  1
  F  F9  1  0.65630569  0.08082433  0.73224138  1
  F  F10  1  0.42451964  0.34369431  0.39890838  1
  F  F11  1  0.91917567  0.57548036  0.06557438  1
  F  F12  1  0.26666571  0.40602841  0.13458007  1
  F  F13  1  0.59397159  0.86063729  0.46791307  1
  F  F14  1  0.13936271  0.73333429  0.80124607  1
  F  F15  1  0.86063729  0.59397159  0.53208693  1
  F  F16  1  0.73333429  0.13936271  0.19875393  1
  F  F17  1  0.40602841  0.26666571  0.86541993  1
